SCHEMBL418204

SCHEMBL418204

CN(Cc1cccc(Cl)c1Cl)C(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 5/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
PTPRC P08575 1/20 0.36
PTPRG P23470 1/20 0.36
LMNA P02545 4/20 0.35
MAPT P10636 4/20 0.35
HSP90AA1 P07900 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
THRB P10828 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL416332 0.91 BCHE (0.49) BCHEACHEMEN1RAB9AKMT2A
SCHEMBL417118 0.90 BCHE (0.39) BCHEACHERAB9AALDH1A1SLC6A4
SCHEMBL414297 0.87 RAB9A (0.39) BCHEACHEMEN1RAB9AKMT2A
SCHEMBL419661 0.83 RAB9A (0.43) BCHEACHEMEN1RAB9AKMT2A
SCHEMBL414300 0.82 BCHE (0.48) BCHEACHEMEN1RAB9AKMT2A
SCHEMBL2485768 0.82 BCHE (0.42) BCHEACHERAB9AKMT2AALDH1A1
SCHEMBL416247 0.82 MAPK1 (0.47) MEN1RAB9AKMT2AALDH1A1MAPT
SCHEMBL412951 0.82 ERCC1 (0.46) MEN1RAB9AKMT2AALDH1A1SLC6A4
SCHEMBL416348 0.82 METAP2 (0.43) MEN1KMT2AALDH1A1CYP2D6
SCHEMBL415391 0.81 ALDH1A1 (0.40) BCHEACHEMEN1RAB9AKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US claimed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP claimed
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO disclosed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 BCHE 3039/4885ACHE 4296/4885MEN1 4868/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.